PNA（T）.DNA（AT） triplexes with Hoogsteen base pairing are more favorable

Peptide nucleic acids (PNAs) are nucleic acid analogs with the deoxyribose phosphate backbone replaced by pseudo-peplide polymers to which the nucleobases are linked. The achiral, uncharged and rather flexible properties of the peplide backbone permit peptide nucleic acids more potential than oligonucleolides in application to antisence and antigenic reagents. The process of PNA binding to DNA duplex and forming triplex is the first step of PNA interacting with PNA. But there are no PNA.2DNA triplex crystal data up to date and little has been reported on the structure features and the force of the PNA.2DNA triplex. In this work, PNA(T).DNA(AT) triplexes are successfully built and the structures and forces to stabilize the triplex after optimizations and molecule dynamics are systematically examined, which are expected to aid in the application of PNAs as anticerise and antigene agents.

PNA(T).DNA(AT) triplexes with Hoogsteen base pairing are more favorable

Peptide nucleic acids(PNAs) are nucleic acidanalogs with the deoxyribose phosphate backbone replaced by pseudo-peptide polymers to which the nucleobases arelinked.The achiral,uncharged and rather flexible properties of the peptide backbone permit peptide nucleic acids more potential than oligonucleotides in application to antisenceand antigenic reagents.The process of PNA binding to DNA duplex and forming triplex is the first step of PNA interact-ing with PNA.But there are no PNA.2DNA triplex crystaldata up to date and little has been reported on the structure features and the force of the PNA.2DNA triplex.In thiswork,PNA(T).DNA(AT) triplexes are successfully built and the structures and forces to stabilize the triplex after optimi-zations and molecule dynamics are systematically exam-ined,which are expected to aid in the application of PNAs as anticense and antigene agents.